1H-Benzotriazole, 1-(methoxymethyl)-


Chemical Name: 1H-Benzotriazole, 1-(methoxymethyl)-
CAS Number: 71878-80-3
Product Number: AG003D3I(AGN-PC-03DR5U)
Synonyms:
MDL No:
Molecular Formula: C8H9N3O
Molecular Weight: 163.17656

Identification/Properties


Properties
MP:
42-43 °C(lit.)
Storage:
Room Temperature;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
163.18g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
163.075g/mol
Monoisotopic Mass:
163.075g/mol
Topological Polar Surface Area:
39.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
153
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-(Methoxymethyl)-1H-benzo[d][1,2,3]triazole, commonly used in chemical synthesis, serves as a versatile building block and reagent in organic chemistry. Its unique structure containing a benzotriazole ring and a methoxymethyl group imparts specific reactivity and functionality, making it valuable in various synthetic pathways. This compound finds significant application as a protecting group for sensitive functional groups during multi-step organic synthesis. It can selectively shield certain reactive sites in complex molecules and prevent undesired reactions, allowing for precise control over reaction outcomes. Furthermore, 1-(Methoxymethyl)-1H-benzo[d][1,2,3]triazole is utilized in the synthesis of pharmaceuticals, agrochemicals, and materials due to its ability to introduce the benzotriazole moiety into target molecules, imparting specific biological or physical properties. Its compatibility with a wide range of reaction conditions and its stability make it a valuable tool for synthetic chemists across various research fields.